N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0166 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoacrylamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C24 H22 Cl F N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccccc2F)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.49 |
| logD: | 4.56 |
| logSw: | -7.46 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.78 |
| InChI Key: | XNJCGQLJFLLJMN-UHFFFAOYSA-N |